Molecule

ID:24710

General Information
Structure
MolImage
Molecular Formula
C₅H₈ClN₃
Molecular Mass
145.59012
Exact Mass
145.04067495
Charge
0
InChI
InChI=1S/C5H7N3.ClH/c6-8-5-1-3-7-4-2-5;/h1-4H,6H2,(H,7,8);1H
InChIKey
MMLHRYAPGSEXCA-UHFFFAOYSA-N
Canonic Smiles
NNc1ccncc1.Cl
Isomeric Smiles
c1cnccc1NN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.8640233
LogD (pH = 7.4)
0.045043156
Log P
0.14721599
Molar Refractivity
33.6078
Polarizability
11.985546
Polar Surface Area
50.94
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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